#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ple n SER 2 N 0.00 0.00 -1.49 1.61 7.64 -1.26 -5.00 113.62 115.12 2ple n SER 2 Ca 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.85 2ple n SER 2 Cb 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.21 2ple n SER 2 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2ple n PRO 3 N -0.15 1.13 -3.55 1.43 -0.04 -1.26 -4.81 135.00 127.75 2ple n PRO 3 Ca 0.00 -0.26 -0.22 0.00 -0.04 0.00 0.00 63.50 62.98 2ple n PRO 3 Cb 0.00 -1.10 0.02 0.00 -0.04 0.00 0.00 33.50 32.38 2ple n PRO 3 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ple n GLY 4 N 1.15 -1.13 3.58 0.55 0.00 -1.26 -4.99 105.19 103.09 2ple n GLY 4 Ca 0.05 0.50 -0.01 0.00 0.00 0.00 0.00 46.02 46.56 2ple n GLY 4 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2ple s ILE 5 N -3.24 -0.13 -1.46 -0.61 2.07 -1.26 -4.78 121.20 111.78 2ple s ILE 5 Ca 0.26 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.50 2ple s ILE 5 Cb -0.09 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.50 2ple s ILE 5 CO 0.84 0.00 0.00 1.41 -1.91 0.00 0.00 174.94 175.28 2ple n HIS 6 N 4.02 -0.00 0.00 3.50 8.25 -1.26 -4.41 115.22 125.32 2ple n HIS 6 Ca -0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 2ple n HIS 6 Cb 0.56 -2.98 0.00 0.00 1.12 0.00 0.00 29.99 28.69 2ple n HIS 6 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2ple n GLU 7 N -1.22 0.00 -1.28 -0.41 1.02 -1.26 -5.16 120.64 112.33 2ple n GLU 7 Ca -0.14 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.69 2ple n GLU 7 Cb 0.62 0.00 0.09 0.00 -0.02 0.00 0.00 31.44 32.13 2ple n GLU 7 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2ple s SER 8 N 0.00 4.56 -0.16 1.62 1.04 -1.26 -4.80 113.70 114.69 2ple s SER 8 Ca 0.00 1.81 0.07 0.00 0.48 0.00 0.00 55.95 58.31 2ple s SER 8 Cb 0.00 -2.52 0.47 0.00 0.10 0.00 0.00 66.02 64.07 2ple s SER 8 CO 0.00 -2.00 1.29 0.29 0.98 0.00 0.00 173.24 173.81 2ple n LYS 9 N -3.49 3.05 -3.02 4.02 5.02 -1.26 -4.43 118.16 118.05 2ple n LYS 9 Ca 0.09 -1.85 -0.17 0.00 -2.02 0.00 0.00 58.31 54.36 2ple n LYS 9 Cb 0.53 -1.91 -0.03 0.00 -0.02 0.00 0.00 35.03 33.60 2ple n LYS 9 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2ple n GLU 10 N 0.23 0.62 0.04 1.97 2.13 -1.26 -4.98 120.64 119.39 2ple n GLU 10 Ca 0.20 -2.57 0.00 0.00 0.66 0.00 0.00 57.16 55.45 2ple n GLU 10 Cb 0.88 -1.40 0.00 0.00 0.27 0.00 0.00 31.44 31.19 2ple n GLU 10 CO 0.00 0.00 0.00 1.87 -0.41 0.00 0.00 177.13 178.59 2ple n TRP 11 N 1.93 -2.62 -5.09 4.31 -0.00 -1.26 -5.08 117.44 109.63 2ple n TRP 11 Ca 0.18 0.28 -0.31 0.00 -0.00 0.00 0.00 57.50 57.65 2ple n TRP 11 Cb 0.56 1.05 -0.15 0.00 -0.00 0.00 0.00 31.31 32.77 2ple n TRP 11 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 177.69 179.21 2ple s TYR 12 N -1.18 2.41 0.49 5.87 -0.85 -1.26 -1.40 117.35 121.43 2ple s TYR 12 Ca 0.00 -0.37 0.07 0.00 -0.52 0.00 0.00 57.07 56.26 2ple s TYR 12 Cb 0.00 -1.49 0.07 0.00 0.38 0.00 0.00 41.96 40.92 2ple s TYR 12 CO 0.00 0.06 0.60 0.72 -1.52 0.00 0.00 175.55 175.42 2ple n HIS 13 N 2.18 -2.00 -2.15 -3.49 8.25 -0.80 -4.82 115.22 112.39 2ple n HIS 13 Ca -0.16 -1.85 -0.04 0.00 -0.26 0.00 0.00 57.72 55.41 2ple n HIS 13 Cb 0.52 -0.45 -0.04 0.00 1.12 0.00 0.00 29.99 31.14 2ple n HIS 13 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ple n ALA 14 N -2.34 3.39 -2.08 -1.41 0.00 -1.26 -1.76 120.51 115.05 2ple n ALA 14 Ca -0.12 -1.12 -0.07 0.00 0.00 0.00 0.00 53.44 52.12 2ple n ALA 14 Cb 0.52 -0.45 0.08 0.00 0.00 0.00 0.00 19.45 19.60 2ple n ALA 14 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2ple n SER 15 N 0.06 2.92 -4.25 0.00 7.64 -1.26 -5.00 113.62 113.72 2ple n SER 15 Ca -0.19 -3.31 -0.15 0.00 1.01 0.00 0.00 58.87 56.23 2ple n SER 15 Cb 0.82 -0.42 -0.10 0.00 -1.01 0.00 0.00 64.21 63.50 2ple n SER 15 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2ple s LEU 16 N -3.09 2.51 -0.24 -3.43 1.02 -1.26 -5.09 118.68 109.11 2ple s LEU 16 Ca 0.41 -0.98 0.00 0.00 0.02 0.00 0.00 54.13 53.58 2ple s LEU 16 Cb 0.38 -0.38 0.06 0.00 0.02 0.00 0.00 46.19 46.27 2ple s LEU 16 CO -0.03 -0.30 -0.02 0.42 0.02 0.00 0.00 176.35 176.43 2ple s THR 17 N -3.14 1.34 0.00 5.49 -4.23 -1.26 -4.91 115.64 108.92 2ple s THR 17 Ca 0.16 -1.15 0.00 0.00 -1.18 0.00 0.00 61.69 59.51 2ple s THR 17 Cb 0.01 -1.68 0.00 0.00 1.34 0.00 0.00 72.50 72.17 2ple s THR 17 CO 0.01 -0.17 0.00 -1.14 -0.54 0.00 0.00 174.62 172.78 2ple n ARG 18 N 4.73 0.00 0.00 3.99 0.63 -1.26 -2.38 116.66 122.37 2ple n ARG 18 Ca -0.10 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.83 2ple n ARG 18 Cb 0.44 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.35 2ple n ARG 18 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2ple n ALA 19 N 0.00 0.00 0.28 5.13 0.00 -1.26 -4.94 120.51 119.72 2ple n ALA 19 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.61 2ple n ALA 19 Cb 0.00 0.00 0.70 0.00 0.00 0.00 0.00 19.45 20.15 2ple n ALA 19 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2ple h GLN 20 N 0.00 0.00 -0.39 0.00 4.20 -1.85 -2.79 115.11 114.27 2ple h GLN 20 Ca 0.00 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.59 2ple h GLN 20 Cb 0.00 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 2ple h GLN 20 CO 0.00 0.00 -0.25 0.00 -0.67 0.00 0.00 178.83 177.91 2ple h ALA 21 N 2.00 0.83 0.00 3.87 0.00 -1.92 -2.29 119.26 121.75 2ple h ALA 21 Ca 0.00 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 2ple h ALA 21 Cb 0.50 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2ple h ALA 21 CO 0.00 0.64 -0.11 0.93 0.00 0.00 0.00 179.25 180.71 2ple h GLU 22 N 0.69 0.00 0.00 0.00 5.08 -1.90 -2.65 114.58 115.80 2ple h GLU 22 Ca 0.09 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 2ple h GLU 22 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.03 2ple h GLU 22 CO 0.06 0.11 -0.16 0.45 -1.00 0.00 0.00 179.01 178.48 2ple h HIS 23 N 0.00 0.15 0.00 4.33 3.86 -1.38 -2.05 115.15 120.06 2ple h HIS 23 Ca -0.00 -0.09 -0.03 0.00 -1.16 0.00 0.00 60.37 59.09 2ple h HIS 23 Cb 0.87 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 29.32 2ple h HIS 23 CO 0.00 0.89 -0.15 0.00 0.86 0.00 0.00 177.93 179.53 2ple h MET 24 N -0.63 0.00 0.00 2.45 -0.00 -1.47 -1.89 114.93 113.39 2ple h MET 24 Ca -0.02 0.00 -0.19 0.00 -0.00 0.00 0.00 59.70 59.49 2ple h MET 24 Cb 0.94 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 32.51 2ple h MET 24 CO 0.03 0.15 -1.04 -0.07 -0.00 0.00 0.00 176.91 175.98 2ple h LEU 25 N 0.00 0.00 0.00 -0.10 3.38 -1.50 -3.28 115.31 113.81 2ple h LEU 25 Ca -0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 2ple h LEU 25 Cb 0.65 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 2ple h LEU 25 CO 0.02 0.81 -0.67 0.00 0.09 0.00 0.00 178.44 178.69 2ple h MET 26 N 0.00 0.00 0.00 1.13 -0.00 -1.09 -3.22 114.93 111.74 2ple h MET 26 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.62 2ple h MET 26 Cb 1.68 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.28 2ple h MET 26 CO 0.09 0.18 0.00 0.00 -0.00 0.00 0.00 176.91 177.18 2ple h ARG 27 N 0.00 0.00 -6.35 -0.10 3.08 -1.40 -3.44 114.38 106.16 2ple h ARG 27 Ca -0.03 0.00 -0.44 0.00 0.07 0.00 0.00 59.98 59.58 2ple h ARG 27 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.26 2ple h ARG 27 CO 0.02 0.00 -0.30 0.08 -1.07 0.00 0.00 179.97 178.70 2ple s VAL 28 N -3.34 2.94 -0.68 2.04 1.01 -1.22 -5.04 120.40 116.10 2ple s VAL 28 Ca 0.05 -1.11 -0.27 0.00 0.00 0.00 0.00 61.98 60.65 2ple s VAL 28 Cb 0.10 -3.02 0.03 0.00 0.00 0.00 0.00 36.38 33.48 2ple s VAL 28 CO 0.48 -0.01 1.31 -2.16 0.00 0.00 0.00 175.10 174.72 2ple s PRO 29 N -4.27 3.24 -0.40 2.72 0.04 -1.26 -4.95 135.00 130.11 2ple s PRO 29 Ca 0.52 -0.02 -0.35 0.00 0.04 0.00 0.00 61.00 61.20 2ple s PRO 29 Cb -0.08 -4.15 -0.12 0.00 0.04 0.00 0.00 34.50 30.19 2ple s PRO 29 CO 0.31 -2.06 2.23 2.89 0.04 0.00 0.00 177.00 180.41 2ple n ARG 30 N 9.10 0.95 -1.58 4.56 1.85 -1.26 -4.72 116.66 125.55 2ple n ARG 30 Ca 0.06 0.24 0.02 0.00 -1.00 0.00 0.00 57.85 57.17 2ple n ARG 30 Cb 0.49 -2.41 0.01 0.00 -1.05 0.00 0.00 32.46 29.51 2ple n ARG 30 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 2ple n ASP 31 N 10.11 0.70 -1.50 2.89 5.68 -1.26 -4.60 116.55 128.57 2ple n ASP 31 Ca 0.43 -2.01 -0.00 0.00 -0.50 0.00 0.00 54.79 52.72 2ple n ASP 31 Cb 0.22 -0.21 -0.00 0.00 -1.14 0.00 0.00 41.12 39.99 2ple n ASP 31 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ple n GLY 32 N 0.27 -2.92 3.12 6.12 0.00 -1.23 -4.87 105.19 105.69 2ple n GLY 32 Ca 0.00 -0.36 -0.12 0.00 0.00 0.00 0.00 46.02 45.55 2ple n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ple s ALA 33 N -0.00 -0.47 -0.08 4.61 0.00 -1.02 -4.33 121.76 120.46 2ple s ALA 33 Ca -0.00 0.22 0.04 0.00 0.00 0.00 0.00 51.96 52.23 2ple s ALA 33 Cb 0.00 -0.08 -0.00 0.00 0.00 0.00 0.00 23.12 23.04 2ple s ALA 33 CO 0.00 -0.17 -0.23 -0.59 0.00 0.00 0.00 175.76 174.77 2ple s PHE 34 N -0.77 2.41 0.20 0.00 -0.12 -0.79 -1.13 117.98 117.78 2ple s PHE 34 Ca -0.09 -0.90 -0.03 0.00 -0.05 0.00 0.00 56.93 55.86 2ple s PHE 34 Cb -0.05 -1.61 -0.03 0.00 -0.63 0.00 0.00 43.02 40.70 2ple s PHE 34 CO 0.01 -0.34 0.19 -0.51 -0.05 0.00 0.00 175.22 174.52 2ple s LEU 35 N 0.21 1.05 0.19 -1.99 1.43 0.18 -4.91 118.68 114.84 2ple s LEU 35 Ca -0.14 -1.28 0.05 0.00 -1.03 0.00 0.00 54.13 51.73 2ple s LEU 35 Cb -0.16 0.64 -0.05 0.00 0.03 0.00 0.00 46.19 46.65 2ple s LEU 35 CO 0.07 -0.88 -0.07 -0.69 0.23 0.00 0.00 176.35 175.00 2ple s VAL 36 N -4.12 1.23 0.08 -1.59 1.01 -0.49 -0.66 120.40 115.86 2ple s VAL 36 Ca 0.34 -2.08 -0.26 0.00 0.00 0.00 0.00 61.98 59.98 2ple s VAL 36 Cb 0.06 -2.09 0.08 0.00 0.00 0.00 0.00 36.38 34.43 2ple s VAL 36 CO 0.10 -0.55 0.85 0.00 0.00 0.00 0.00 175.10 175.50 2ple s ARG 37 N -3.77 1.05 -0.08 2.72 1.70 0.14 -1.90 118.95 118.79 2ple s ARG 37 Ca 0.22 -0.46 0.03 0.00 -0.47 0.00 0.00 55.73 55.05 2ple s ARG 37 Cb 0.03 0.43 -0.02 0.00 -0.57 0.00 0.00 34.95 34.83 2ple s ARG 37 CO 0.05 -0.47 -0.15 0.21 -1.08 0.00 0.00 175.30 173.86 2ple s LYS 38 N -3.31 2.85 0.00 3.89 2.20 -0.72 -1.24 119.74 123.40 2ple s LYS 38 Ca 0.06 -0.72 0.00 0.00 -0.36 0.00 0.00 55.97 54.95 2ple s LYS 38 Cb -0.01 -2.44 0.00 0.00 -1.51 0.00 0.00 37.83 33.86 2ple s LYS 38 CO -0.06 0.43 0.00 0.54 -0.36 0.00 0.00 175.35 175.90 2ple n ARG 39 N 2.87 2.00 -1.88 4.03 3.00 -1.26 -4.80 116.66 120.61 2ple n ARG 39 Ca -0.18 0.00 -0.39 0.00 -0.01 0.00 0.00 57.85 57.28 2ple n ARG 39 Cb 0.52 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 32.97 2ple n ARG 39 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2ple n ASN 40 N 0.00 7.96 -3.58 0.55 3.02 -1.26 -4.86 115.26 117.09 2ple n ASN 40 Ca 0.00 -3.09 -0.07 0.00 -0.03 0.00 0.00 54.58 51.39 2ple n ASN 40 Cb 0.00 -1.37 -0.04 0.00 -0.61 0.00 0.00 39.78 37.76 2ple n ASN 40 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 2ple s GLU 41 N -0.91 0.45 0.00 3.52 1.03 -1.26 -5.01 118.70 116.52 2ple s GLU 41 Ca 0.56 -0.00 0.30 0.00 0.03 0.00 0.00 54.97 55.86 2ple s GLU 41 Cb 0.20 0.21 1.78 0.00 -0.80 0.00 0.00 34.13 35.52 2ple s GLU 41 CO -0.10 -0.16 2.13 -0.35 -1.33 0.00 0.00 175.26 175.45 2ple n PRO 42 N 0.37 0.88 -4.52 -4.83 -0.04 -1.26 -4.82 135.00 120.78 2ple n PRO 42 Ca -0.06 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.16 2ple n PRO 42 Cb 0.59 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.44 2ple n PRO 42 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2ple s ASN 43 N -2.08 3.19 0.52 3.54 0.01 -1.26 -5.06 114.94 113.80 2ple s ASN 43 Ca 0.43 -1.31 0.00 0.00 -0.71 0.00 0.00 52.86 51.28 2ple s ASN 43 Cb 0.21 -0.25 0.00 0.00 0.41 0.00 0.00 41.25 41.61 2ple s ASN 43 CO 0.37 -0.43 0.00 -1.54 -1.51 0.00 0.00 177.10 173.98 2ple n SER 44 N -0.78 -7.07 -2.21 -1.22 3.41 -1.26 -4.82 113.62 99.67 2ple n SER 44 Ca -0.04 1.19 -0.10 0.00 -0.26 0.00 0.00 58.87 59.65 2ple n SER 44 Cb 0.66 -4.29 -0.03 0.00 -0.26 0.00 0.00 64.21 60.28 2ple n SER 44 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2ple n TYR 45 N -4.07 -0.70 -3.54 7.33 4.02 -1.01 -4.71 117.16 114.50 2ple n TYR 45 Ca -0.07 -1.48 -0.10 0.00 -0.01 0.00 0.00 57.90 56.24 2ple n TYR 45 Cb 0.60 0.23 -0.10 0.00 -0.02 0.00 0.00 39.34 40.05 2ple n TYR 45 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2ple s ALA 46 N -2.54 -0.97 -0.45 -0.72 0.00 -0.37 -2.05 121.76 114.65 2ple s ALA 46 Ca 0.20 1.11 -0.22 0.00 0.00 0.00 0.00 51.96 53.05 2ple s ALA 46 Cb 0.00 -1.40 0.03 0.00 0.00 0.00 0.00 23.12 21.75 2ple s ALA 46 CO 0.14 -0.95 0.73 0.42 0.00 0.00 0.00 175.76 176.10 2ple s ILE 47 N 2.54 4.71 -0.48 0.00 1.01 0.29 -0.69 121.20 128.59 2ple s ILE 47 Ca 0.05 0.25 -0.18 0.00 0.00 0.00 0.00 60.65 60.76 2ple s ILE 47 Cb -0.13 -4.29 0.05 0.00 0.01 0.00 0.00 42.46 38.10 2ple s ILE 47 CO -0.13 -0.70 0.55 -0.94 0.00 0.00 0.00 174.94 173.72 2ple s SER 48 N 2.15 6.21 -0.02 3.58 1.04 0.17 -0.73 113.70 126.09 2ple s SER 48 Ca 0.26 -0.90 0.05 0.00 0.48 0.00 0.00 55.95 55.84 2ple s SER 48 Cb -0.13 -2.26 -0.01 0.00 0.10 0.00 0.00 66.02 63.72 2ple s SER 48 CO 0.21 -0.78 -0.16 0.72 0.98 0.00 0.00 173.24 174.21 2ple s PHE 49 N 2.37 1.43 -0.02 5.02 -0.12 -0.97 -0.65 117.98 125.05 2ple s PHE 49 Ca 0.13 -0.30 -0.22 0.00 -0.05 0.00 0.00 56.93 56.49 2ple s PHE 49 Cb -0.19 -0.94 -0.05 0.00 -0.63 0.00 0.00 43.02 41.21 2ple s PHE 49 CO 0.12 -0.05 0.65 1.03 -0.05 0.00 0.00 175.22 176.91 2ple s ARG 50 N -0.26 4.38 0.21 1.99 0.52 -0.28 -1.14 118.95 124.38 2ple s ARG 50 Ca 0.04 0.82 0.02 0.00 -0.52 0.00 0.00 55.73 56.08 2ple s ARG 50 Cb -0.07 -3.38 -0.04 0.00 0.52 0.00 0.00 34.95 31.98 2ple s ARG 50 CO -0.00 0.27 0.38 0.00 0.02 0.00 0.00 175.30 175.96 2ple s ALA 51 N 0.12 3.87 -0.87 2.13 0.00 -0.46 -2.43 121.76 124.11 2ple s ALA 51 Ca 0.34 -0.98 -0.25 0.00 0.00 0.00 0.00 51.96 51.07 2ple s ALA 51 Cb -0.18 -1.90 -0.07 0.00 0.00 0.00 0.00 23.12 20.97 2ple s ALA 51 CO 0.18 0.36 2.07 -2.00 0.00 0.00 0.00 175.76 176.38 2ple s GLU 52 N -3.57 2.29 0.00 0.00 2.12 -1.26 -2.01 118.70 116.26 2ple s GLU 52 Ca 0.37 -0.08 0.00 0.00 0.36 0.00 0.00 54.97 55.61 2ple s GLU 52 Cb -0.10 -4.99 0.00 0.00 0.26 0.00 0.00 34.13 29.30 2ple s GLU 52 CO 0.30 -3.69 0.00 0.41 -0.54 0.00 0.00 175.26 171.74 2ple n GLY 53 N 6.84 1.04 3.64 -1.50 0.00 -1.26 -5.07 105.19 108.87 2ple n GLY 53 Ca 0.42 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.34 2ple n GLY 53 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ple s LYS 54 N 0.00 0.60 1.16 1.61 2.20 -0.85 -5.10 119.74 119.35 2ple s LYS 54 Ca 0.00 0.72 -0.14 0.00 -0.36 0.00 0.00 55.97 56.19 2ple s LYS 54 Cb 0.00 0.29 0.25 0.00 -1.51 0.00 0.00 37.83 36.86 2ple s LYS 54 CO 0.00 -0.07 0.84 -0.89 -0.36 0.00 0.00 175.35 174.87 2ple n ILE 55 N 2.39 0.00 -3.15 5.43 5.41 -1.26 -1.35 119.36 126.83 2ple n ILE 55 Ca -0.13 -0.41 0.04 0.00 1.00 0.00 0.00 62.75 63.25 2ple n ILE 55 Cb 0.56 -0.92 -0.00 0.00 -0.71 0.00 0.00 39.64 38.56 2ple n ILE 55 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 2ple s LYS 56 N -4.23 0.56 0.60 0.38 2.47 -0.29 -4.52 119.74 114.71 2ple s LYS 56 Ca 0.66 0.66 -0.06 0.00 -1.56 0.00 0.00 55.97 55.67 2ple s LYS 56 Cb -0.23 0.32 0.01 0.00 -1.46 0.00 0.00 37.83 36.47 2ple s LYS 56 CO 0.65 -0.95 0.92 -1.01 0.16 0.00 0.00 175.35 175.12 2ple s HIS 57 N 2.84 3.26 0.10 4.03 3.76 -1.26 -2.28 115.29 125.73 2ple s HIS 57 Ca 0.13 0.69 -0.12 0.00 -0.15 0.00 0.00 55.06 55.60 2ple s HIS 57 Cb -0.11 -2.77 0.02 0.00 1.11 0.00 0.00 32.58 30.83 2ple s HIS 57 CO -0.25 -0.85 0.29 0.00 -0.85 0.00 0.00 174.74 173.08 2ple s ARG 59 N -3.72 0.46 0.02 0.00 3.03 -1.26 -0.54 118.95 116.93 2ple s ARG 59 Ca 0.03 -0.74 0.06 0.00 2.03 0.00 0.00 55.73 57.11 2ple s ARG 59 Cb 0.03 -0.11 -0.02 0.00 -1.03 0.00 0.00 34.95 33.82 2ple s ARG 59 CO -0.11 0.00 -0.18 0.08 -1.13 0.00 0.00 175.30 173.97 2ple s VAL 60 N -1.60 1.41 0.41 4.99 1.01 -0.87 -4.93 120.40 120.83 2ple s VAL 60 Ca -0.11 -0.97 0.06 0.00 0.00 0.00 0.00 61.98 60.95 2ple s VAL 60 Cb -0.09 -1.22 0.01 0.00 0.00 0.00 0.00 36.38 35.08 2ple s VAL 60 CO -0.01 0.22 0.58 -1.10 0.00 0.00 0.00 175.10 174.79 2ple s GLN 61 N -0.88 2.91 0.05 2.72 -0.21 -1.06 -2.40 119.66 120.80 2ple s GLN 61 Ca 0.06 -1.01 0.01 0.00 0.02 0.00 0.00 55.36 54.44 2ple s GLN 61 Cb -0.08 -2.72 -0.03 0.00 1.00 0.00 0.00 33.01 31.19 2ple s GLN 61 CO 0.01 -0.22 -0.05 -1.14 -2.12 0.00 0.00 175.29 171.77 2ple s GLN 62 N -4.37 0.52 -0.37 2.91 0.74 -1.26 -1.68 119.66 116.14 2ple s GLN 62 Ca 0.51 -0.90 0.12 0.00 0.05 0.00 0.00 55.36 55.14 2ple s GLN 62 Cb -0.10 -0.03 0.34 0.00 1.10 0.00 0.00 33.01 34.32 2ple s GLN 62 CO 0.34 -0.03 0.73 -1.91 -0.55 0.00 0.00 175.29 173.87 2ple n GLU 63 N 0.98 0.96 0.00 1.67 2.13 -0.88 -4.86 120.64 120.63 2ple n GLU 63 Ca -0.20 -3.31 0.00 0.00 0.66 0.00 0.00 57.16 54.31 2ple n GLU 63 Cb 0.57 -1.65 0.00 0.00 0.27 0.00 0.00 31.44 30.63 2ple n GLU 63 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2ple n GLY 64 N 0.35 2.21 0.00 8.31 0.00 -1.26 -3.67 105.19 111.13 2ple n GLY 64 Ca 0.24 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2ple n GLY 64 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2ple n GLN 65 N 0.00 2.21 -1.38 1.61 7.27 -1.26 -5.06 117.38 120.76 2ple n GLN 65 Ca 0.00 0.00 -0.21 0.00 0.07 0.00 0.00 57.00 56.86 2ple n GLN 65 Cb 0.00 -0.91 0.14 0.00 2.41 0.00 0.00 30.24 31.88 2ple n GLN 65 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 2ple n THR 66 N -1.91 0.00 -3.70 1.69 -1.04 -1.24 -4.39 114.28 103.68 2ple n THR 66 Ca 0.00 -0.72 -0.13 0.00 -2.04 0.00 0.00 64.05 61.16 2ple n THR 66 Cb 0.41 -1.62 -0.09 0.00 -1.82 0.00 0.00 70.33 67.21 2ple n THR 66 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 2ple s VAL 67 N -3.00 0.00 -0.98 12.58 -7.23 0.08 -2.07 120.40 119.77 2ple s VAL 67 Ca 0.53 -0.00 -0.21 0.00 -1.81 0.00 0.00 61.98 60.48 2ple s VAL 67 Cb -0.01 -0.71 0.08 0.00 0.56 0.00 0.00 36.38 36.30 2ple s VAL 67 CO 0.37 -0.00 1.32 -0.04 -0.31 0.00 0.00 175.10 176.44 2ple s MET 68 N 0.25 3.59 -0.04 4.82 -1.94 -0.68 -1.81 119.30 123.49 2ple s MET 68 Ca -0.00 -1.37 -0.23 0.00 -1.71 0.00 0.00 55.69 52.38 2ple s MET 68 Cb -0.04 -5.18 -0.17 0.00 2.01 0.00 0.00 34.83 31.45 2ple s MET 68 CO 0.01 -2.04 0.97 1.25 -0.01 0.00 0.00 175.02 175.20 2ple h LEU 69 N 11.86 -0.17 0.00 -0.03 7.12 -1.73 -2.80 115.31 129.57 2ple h LEU 69 Ca 0.18 -0.38 0.00 0.00 0.13 0.00 0.00 57.88 57.81 2ple h LEU 69 Cb 1.02 0.04 0.00 0.00 -0.53 0.00 0.00 40.66 41.19 2ple h LEU 69 CO 1.30 0.37 0.00 0.61 -0.13 0.00 0.00 178.44 180.60 2ple n GLY 70 N 0.48 -1.57 0.01 3.75 0.00 -1.26 -4.85 105.19 101.74 2ple n GLY 70 Ca -0.08 0.56 0.10 0.00 0.00 0.00 0.00 46.02 46.60 2ple n GLY 70 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2ple n ASN 71 N 0.00 0.55 -3.28 1.61 0.23 -1.26 -5.02 115.26 108.10 2ple n ASN 71 Ca 0.00 -0.30 -0.13 0.00 -0.53 0.00 0.00 54.58 53.62 2ple n ASN 71 Cb 0.00 1.64 -0.03 0.00 -2.08 0.00 0.00 39.78 39.31 2ple n ASN 71 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 2ple s SER 72 N -3.87 0.65 -0.35 0.53 0.15 -1.26 -5.13 113.70 104.42 2ple s SER 72 Ca -0.03 -1.37 -0.08 0.00 0.70 0.00 0.00 55.95 55.18 2ple s SER 72 Cb 0.13 0.69 0.04 0.00 -1.71 0.00 0.00 66.02 65.17 2ple s SER 72 CO 0.83 -1.35 0.14 -0.70 1.20 0.00 0.00 173.24 173.36 2ple s GLU 73 N -3.04 2.66 0.00 5.44 2.12 -1.26 -2.30 118.70 122.33 2ple s GLU 73 Ca 0.27 -1.17 0.00 0.00 0.36 0.00 0.00 54.97 54.43 2ple s GLU 73 Cb -0.01 -3.54 0.00 0.00 0.26 0.00 0.00 34.13 30.84 2ple s GLU 73 CO 0.17 -0.69 0.00 0.34 -0.54 0.00 0.00 175.26 174.55 2ple n PHE 74 N 4.86 0.00 -1.80 5.30 -0.00 -0.75 -4.71 117.46 120.35 2ple n PHE 74 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.33 2ple n PHE 74 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 39.93 2ple n PHE 74 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.76 176.36 2ple n ASP 75 N 0.00 0.00 -3.21 -2.13 5.68 -1.26 -0.74 116.55 114.89 2ple n ASP 75 Ca 0.00 -1.13 -0.07 0.00 -0.50 0.00 0.00 54.79 53.09 2ple n ASP 75 Cb 0.00 -0.03 -0.03 0.00 -1.14 0.00 0.00 41.12 39.92 2ple n ASP 75 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 2ple s SER 76 N -0.13 -0.54 0.58 -1.12 1.04 -1.26 -4.80 113.70 107.46 2ple s SER 76 Ca 0.00 -1.25 0.30 0.00 0.48 0.00 0.00 55.95 55.48 2ple s SER 76 Cb 0.00 1.41 1.43 0.00 0.10 0.00 0.00 66.02 68.96 2ple s SER 76 CO 0.00 -0.18 1.82 0.17 0.98 0.00 0.00 173.24 176.03 2ple h LEU 77 N 6.71 0.00 -0.19 2.42 -0.00 -1.95 0.26 115.31 122.56 2ple h LEU 77 Ca 0.06 0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 57.88 2ple h LEU 77 Cb 1.12 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.78 2ple h LEU 77 CO 0.13 0.00 -0.11 0.58 -0.00 0.00 0.00 178.44 179.04 2ple h VAL 78 N 0.00 1.32 0.00 0.15 2.07 -1.99 -2.11 116.25 115.68 2ple h VAL 78 Ca 0.32 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 66.64 2ple h VAL 78 Cb 1.58 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 33.05 2ple h VAL 78 CO -0.00 0.36 0.00 -0.67 0.02 0.00 0.00 177.57 177.28 2ple n ASP 79 N -4.55 0.35 0.06 0.57 -0.08 0.72 -1.37 116.55 112.24 2ple n ASP 79 Ca -0.05 0.55 -0.20 0.00 -1.51 0.00 0.00 54.79 53.58 2ple n ASP 79 Cb 0.34 -0.64 -0.13 0.00 2.34 0.00 0.00 41.12 43.03 2ple n ASP 79 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 2ple h LEU 80 N 0.00 0.71 -0.10 -2.67 -0.00 -0.63 -2.89 115.31 109.73 2ple h LEU 80 Ca 0.00 -0.82 -0.07 0.00 -0.00 0.00 0.00 57.88 56.98 2ple h LEU 80 Cb 0.49 -0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 40.92 2ple h LEU 80 CO 0.00 1.46 -0.35 0.40 -0.00 0.00 0.00 178.44 179.95 2ple h ILE 81 N 0.06 0.61 0.80 1.22 5.03 -1.26 -2.63 117.51 121.33 2ple h ILE 81 Ca -0.14 -1.81 -0.04 0.00 -0.12 0.00 0.00 64.86 62.75 2ple h ILE 81 Cb 1.68 2.26 0.01 0.00 -3.03 0.00 0.00 36.82 37.74 2ple h ILE 81 CO 0.19 0.34 -0.38 -1.28 -0.68 0.00 0.00 178.15 176.33 2ple h SER 82 N 0.00 -0.91 1.15 1.72 0.87 -1.17 -0.50 113.55 114.71 2ple h SER 82 Ca -0.00 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 2ple h SER 82 Cb 1.23 0.23 0.00 0.00 -0.44 0.00 0.00 62.40 63.42 2ple h SER 82 CO 0.05 -0.60 0.00 0.10 -0.53 0.00 0.00 176.83 175.84 2ple h TYR 83 N -1.16 0.00 0.00 2.24 -0.00 -1.60 -2.42 116.97 114.03 2ple h TYR 83 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.62 2ple h TYR 83 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.56 2ple h TYR 83 CO -0.01 0.00 0.00 1.88 -0.00 0.00 0.00 178.16 180.03 2ple h TYR 84 N 0.00 0.00 0.00 0.10 0.05 -1.08 -2.42 116.97 113.62 2ple h TYR 84 Ca 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.76 2ple h TYR 84 Cb 0.58 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.31 2ple h TYR 84 CO 0.00 0.00 -0.08 0.93 -1.05 0.00 0.00 178.16 177.96 2ple h GLU 85 N 0.00 0.00 0.00 4.88 5.08 -0.57 -2.79 114.58 121.18 2ple h GLU 85 Ca 0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 2ple h GLU 85 Cb 0.72 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 2ple h GLU 85 CO 0.00 0.08 -1.70 1.63 -1.00 0.00 0.00 179.01 178.02 2ple n LYS 86 N -3.51 1.23 -3.00 2.33 4.01 -1.15 -4.69 118.16 113.38 2ple n LYS 86 Ca -0.02 -0.06 -0.18 0.00 -0.51 0.00 0.00 58.31 57.54 2ple n LYS 86 Cb 0.21 -1.30 0.03 0.00 -0.51 0.00 0.00 35.03 33.46 2ple n LYS 86 CO 0.00 0.00 0.00 -1.01 -1.11 0.00 0.00 177.40 175.28 2ple s HIS 87 N -2.59 2.22 0.49 2.13 3.76 -0.92 -5.03 115.29 115.35 2ple s HIS 87 Ca -0.05 -0.52 -0.19 0.00 -0.15 0.00 0.00 55.06 54.15 2ple s HIS 87 Cb 0.06 -2.33 -0.08 0.00 1.11 0.00 0.00 32.58 31.33 2ple s HIS 87 CO 0.51 -0.76 1.01 -1.25 -0.85 0.00 0.00 174.74 173.40 2ple s PRO 88 N -4.51 3.87 -0.00 8.40 0.04 -1.26 -4.55 135.00 137.00 2ple s PRO 88 Ca 0.58 1.19 -0.01 0.00 0.04 0.00 0.00 61.00 62.80 2ple s PRO 88 Cb -0.08 -2.12 -0.00 0.00 0.04 0.00 0.00 34.50 32.34 2ple s PRO 88 CO 0.36 -0.35 -0.01 -0.11 0.04 0.00 0.00 177.00 176.93 2ple n LEU 89 N -1.16 0.11 -0.48 -3.56 0.00 -1.25 -4.83 117.00 105.82 2ple n LEU 89 Ca 0.08 0.02 0.05 0.00 0.00 0.00 0.00 56.01 56.16 2ple n LEU 89 Cb 0.53 -0.21 0.13 0.00 0.00 0.00 0.00 43.42 43.88 2ple n LEU 89 CO 0.41 -0.51 0.61 0.00 0.00 0.00 0.00 177.39 177.90 2ple n TYR 90 N -2.61 0.40 0.00 1.96 9.36 -1.26 -5.02 117.16 119.99 2ple n TYR 90 Ca -0.00 -0.61 0.00 0.00 3.32 0.00 0.00 57.90 60.61 2ple n TYR 90 Cb 0.01 -0.09 0.00 0.00 -0.63 0.00 0.00 39.34 38.63 2ple n TYR 90 CO 0.00 0.00 0.00 2.89 0.22 0.00 0.00 176.86 179.97 2ple n ARG 91 N -0.08 0.00 -0.02 2.98 0.00 -1.26 -5.02 116.66 113.26 2ple n ARG 91 Ca 0.11 0.00 0.02 0.00 -0.00 0.00 0.00 57.85 57.98 2ple n ARG 91 Cb 0.49 0.00 -0.08 0.00 -0.00 0.00 0.00 32.46 32.87 2ple n ARG 91 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 2ple n LYS 92 N 0.00 1.07 0.00 2.89 0.00 -1.26 -4.68 118.16 116.19 2ple n LYS 92 Ca 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 58.31 58.25 2ple n LYS 92 Cb 0.00 -1.25 0.00 0.00 -0.00 0.00 0.00 35.03 33.78 2ple n LYS 92 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 2ple n MET 93 N -2.04 1.05 -3.93 -1.58 2.81 -1.26 -4.59 117.12 107.57 2ple n MET 93 Ca -0.07 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 55.73 2ple n MET 93 Cb 0.47 0.00 -0.09 0.00 -0.71 0.00 0.00 33.22 32.89 2ple n MET 93 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2ple s LYS 94 N 0.00 0.66 -0.27 0.03 1.02 -1.26 -3.88 119.74 116.04 2ple s LYS 94 Ca 0.00 -0.87 0.01 0.00 0.02 0.00 0.00 55.97 55.13 2ple s LYS 94 Cb 0.00 0.26 0.28 0.00 -0.52 0.00 0.00 37.83 37.85 2ple s LYS 94 CO 0.00 -0.17 1.71 1.47 -0.92 0.00 0.00 175.35 177.43 2ple n LEU 95 N 0.46 5.59 -0.19 3.17 -0.00 -1.25 -3.81 117.00 120.97 2ple n LEU 95 Ca -0.17 -2.89 0.03 0.00 -0.00 0.00 0.00 56.01 52.98 2ple n LEU 95 Cb 0.60 -0.84 0.05 0.00 -0.00 0.00 0.00 43.42 43.22 2ple n LEU 95 CO 0.23 0.98 0.39 -1.14 -0.00 0.00 0.00 177.39 177.86 2ple n ARG 96 N -0.03 0.90 -1.69 1.47 0.00 -1.26 -4.69 116.66 111.36 2ple n ARG 96 Ca 0.30 -1.51 -0.43 0.00 -0.00 0.00 0.00 57.85 56.22 2ple n ARG 96 Cb 0.85 -0.90 -0.03 0.00 0.00 0.00 0.00 32.46 32.38 2ple n ARG 96 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.63 177.16 2ple s TYR 97 N -1.09 1.31 0.00 -0.14 6.14 -1.25 -4.84 117.35 117.48 2ple s TYR 97 Ca 0.10 0.21 0.00 0.00 0.64 0.00 0.00 57.07 58.03 2ple s TYR 97 Cb 0.09 -4.05 0.00 0.00 0.42 0.00 0.00 41.96 38.42 2ple s TYR 97 CO 0.01 -4.43 0.00 -0.35 0.64 0.00 0.00 175.55 171.42 2ple n PRO 98 N 8.25 0.28 -3.21 4.97 -0.04 -1.26 -1.89 135.00 142.10 2ple n PRO 98 Ca 0.25 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.33 2ple n PRO 98 Cb 0.44 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.84 2ple n PRO 98 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2ple s ILE 99 N -0.66 4.97 0.63 0.52 1.01 -1.26 -4.65 121.20 121.76 2ple s ILE 99 Ca 0.00 1.22 -0.12 0.00 0.00 0.00 0.00 60.65 61.75 2ple s ILE 99 Cb 0.00 -3.92 -0.03 0.00 0.01 0.00 0.00 42.46 38.52 2ple s ILE 99 CO 0.00 0.39 1.04 0.21 0.00 0.00 0.00 174.94 176.58 2ple s ASN 100 N 0.02 5.96 -0.41 3.58 3.84 -1.26 -4.98 114.94 121.68 2ple s ASN 100 Ca 0.31 1.54 0.05 0.00 0.21 0.00 0.00 52.86 54.97 2ple s ASN 100 Cb -0.18 -2.49 0.45 0.00 -0.55 0.00 0.00 41.25 38.48 2ple s ASN 100 CO 0.16 -1.05 1.37 -1.84 -2.79 0.00 0.00 177.10 172.95 2ple n GLU 101 N -2.67 3.37 0.01 0.43 0.28 -1.26 -4.38 120.64 116.43 2ple n GLU 101 Ca 0.07 -4.03 0.00 0.00 -0.16 0.00 0.00 57.16 53.03 2ple n GLU 101 Cb 0.54 -2.28 0.00 0.00 1.43 0.00 0.00 31.44 31.13 2ple n GLU 101 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2ple n GLU 102 N -0.70 0.00 0.22 3.44 2.13 -1.26 -4.38 120.64 120.09 2ple n GLU 102 Ca 0.47 0.00 0.12 0.00 0.66 0.00 0.00 57.16 58.41 2ple n GLU 102 Cb 0.82 -0.05 0.26 0.00 0.27 0.00 0.00 31.44 32.74 2ple n GLU 102 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 2ple h ASN 103 N 0.00 0.00 0.12 4.31 2.35 -2.02 -3.27 115.58 117.08 2ple h ASN 103 Ca 0.00 0.00 -0.37 0.00 -0.55 0.00 0.00 56.30 55.38 2ple h ASN 103 Cb 0.00 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.33 2ple h ASN 103 CO 0.00 0.05 -2.12 -1.54 -1.65 0.00 0.00 177.43 172.16 2ple n SER 104 N -3.12 1.87 0.00 5.81 3.41 -1.26 -5.09 113.62 115.24 2ple n SER 104 Ca 0.03 0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.76 2ple n SER 104 Cb 0.50 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 2ple n SER 104 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64